Details of the Drug

General Information of Drug (ID: DMKRHQ3)

• Drug Name: 4-methyl-2H-benzofuro[3,2-g]chromen-2-one
• Synonyms: CHEMBL201777; 105290-13-9; 2H-Benzofuro(3,2-g)-1-benzopyran-2-one, 4-methyl-; 4-Methyl-(1)benzofuro(3,2-g)chromen-2-one; 2H-Benzofuro[3,2-g]-1-benzopyran-2-one, 4-methyl-; 4-methyl-[1]benzofuro[3,2-g]chromen-2-one; 4-methyl-2H-benzofuro[3,2-g]chromen-2-one; ACMC-20c6p3; AC1Q6A2V; AC1L4EY2; 4-methyl-2h-[1]benzofuro[3,2-g]chromen-2-one; CTK0G5617; DTXSID00147060; ZINC6069630; BDBM50181850

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 250.25
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H10O3
  IUPAC Name: 4-methyl-[1]benzofuro[3,2-g]chromen-2-one
  Canonical SMILES: CC1=CC(=O)OC2=CC3=C(C=C12)C4=CC=CC=C4O3
  InChI: InChI=1S/C16H10O3/c1-9-6-16(17)19-14-8-15-12(7-11(9)14)10-4-2-3-5-13(10)18-15/h2-8H,1H3
  InChIKey: MOTTUNALIBKKNF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 184462
  CAS Number: 105290-13-9
  TTD ID: D00JUD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J Med Chem. 2006 Feb 9;49(3):1149-56.